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Article ; Online: PACAP key interactions with PAC1, VPAC1, and VPAC2 identified by molecular dynamics simulations.

Meireles, Fernando Augusto T P / Antunes, Deborah / Temerozo, Jairo R / Bou-Habib, Dumith Chequer / Caffarena, Ernesto Raul

Journal of biomolecular structure & dynamics

2023 Volume 42, Issue 6, Page(s) 3128–3144

Abstract: The neuropeptide pituitary adenylate cyclase-activating polypeptide (PACAP) belongs to the glucagon/secretin family. PACAP interacts with the pituitary adenylate cyclase-activating polypeptide receptor type 1 (PAC1) and vasoactive intestinal peptide ... ...

Abstract	The neuropeptide pituitary adenylate cyclase-activating polypeptide (PACAP) belongs to the glucagon/secretin family. PACAP interacts with the pituitary adenylate cyclase-activating polypeptide receptor type 1 (PAC1) and vasoactive intestinal peptide receptors 1 and 2 (VPAC1 and VPAC2), exhibiting functions in the immune, endocrine, and nervous systems. This peptide is upregulated in numerous instances of brain injury, acting as a neuroprotective agent. It can also suppress HIV-1 and SARS-CoV-2 viral replication
MeSH term(s)	Pituitary Adenylate Cyclase-Activating Polypeptide ; Molecular Dynamics Simulation ; Receptors, Pituitary Adenylate Cyclase-Activating Polypeptide, Type I ; Receptors, Pituitary Hormone/chemistry ; Receptors, Pituitary Hormone/metabolism ; Nervous System
Chemical Substances	Pituitary Adenylate Cyclase-Activating Polypeptide ; Receptors, Pituitary Adenylate Cyclase-Activating Polypeptide, Type I ; Receptors, Pituitary Hormone
Language	English
Publishing date	2023-05-22
Publishing country	England
Document type	Journal Article
ZDB-ID	49157-3
ISSN	1538-0254 ; 0739-1102
ISSN (online)	1538-0254
ISSN	0739-1102
DOI	10.1080/07391102.2023.2213349
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Article ; Online: Differential haplotype expression in class I MHC genes during SARS-CoV-2 infection of human lung cell lines.

Francisco Junior, Ronaldo da Silva / Temerozo, Jairo R / Ferreira, Cristina Dos Santos / Martins, Yasmmin / Souza, Thiago Moreno L / Medina-Acosta, Enrique / de Vasconcelos, Ana Tereza Ribeiro

Frontiers in immunology

2023 Volume 13, Page(s) 1101526

Abstract: Introduction: Cell entry of SARS-CoV-2 causes genome-wide disruption of the transcriptional profiles of genes and biological pathways involved in the pathogenesis of COVID-19. Expression allelic imbalance is characterized by a deviation from the ... ...

Abstract	Introduction: Cell entry of SARS-CoV-2 causes genome-wide disruption of the transcriptional profiles of genes and biological pathways involved in the pathogenesis of COVID-19. Expression allelic imbalance is characterized by a deviation from the Mendelian expected 1:1 expression ratio and is an important source of allele-specific heterogeneity. Expression allelic imbalance can be measured by allele-specific expression analysis (ASE) across heterozygous informative expressed single nucleotide variants (eSNVs). ASE reflects many regulatory biological phenomena that can be assessed by combining genome and transcriptome information. ASE contributes to the interindividual variability associated with the disease. We aim to estimate the transcriptome-wide impact of SARS-CoV-2 infection by analyzing eSNVs. Methods: We compared ASE profiles in the human lung cell lines Calu-3, A459, and H522 before and after infection with SARS-CoV-2 using RNA-Seq experiments. Results: We identified 34 differential ASE (DASE) sites in 13 genes ( Discussion: Independent of gene expression compensation, SARS-CoV-2 infection of human lung cell lines induces transcriptional allelic switching at the MHC loci. This suggests a response mechanism to SARS-CoV-2 infection that swaps HLA alleles with poor epitope binding affinity, an expectation supported by publicly available proteome data.
MeSH term(s)	Humans ; Alleles ; COVID-19 ; Epitopes ; Haplotypes ; Lung ; Methionine Adenosyltransferase ; SARS-CoV-2 ; Histocompatibility Antigens Class I/genetics
Chemical Substances	Epitopes ; MAT2A protein, human (EC 2.5.1.6) ; Methionine Adenosyltransferase (EC 2.5.1.6) ; Histocompatibility Antigens Class I
Language	English
Publishing date	2023-02-01
Publishing country	Switzerland
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	2606827-8
ISSN	1664-3224 ; 1664-3224
ISSN (online)	1664-3224
ISSN	1664-3224
DOI	10.3389/fimmu.2022.1101526
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Article ; Online: Interleukin-27 Promotes Divergent Effects on HIV-1 Infection in Peripheral Blood Mononuclear Cells through BST-2/Tetherin.

Temerozo, Jairo R / Ferreira, Pedro L C / Linhares-Lacerda, Leandra / Vieira, Rhaíssa C / Cister-Alves, Bruno / Gobbo, Livia / Ribeiro-Alves, Marcelo / Menna-Barreto, Rubem F S / Bou-Habib, Dumith Chequer

Journal of virology

2023 Volume 97, Issue 1, Page(s) e0175222

Abstract: Interleukin-27 (IL-27) is able to inhibit HIV-1 replication in peripheral blood mononuclear cells (PBMCs), macrophages, and dendritic cells. Here, we identify that IL-27 can produce opposing effects on HIV-1 replication in PBMCs and that the HIV-1 ... ...

Abstract	Interleukin-27 (IL-27) is able to inhibit HIV-1 replication in peripheral blood mononuclear cells (PBMCs), macrophages, and dendritic cells. Here, we identify that IL-27 can produce opposing effects on HIV-1 replication in PBMCs and that the HIV-1 restriction factor BST-2/Tetherin is involved in both inhibitory and enhancing effects on HIV-1 infection induced by IL-27. IL-27 inhibited HIV-1 replication when added to cells 2 h after infection, promoting the prototypical BST-2/Tetherin-induced virion accumulation at the cell membrane of HIV-1-infected PBMCs. BST-2/Tetherin gene expression was significantly upregulated in the IL-27-treated PBMCs, with a simultaneous increase in the number of BST-2/Tetherin
MeSH term(s)	Humans ; Bone Marrow Stromal Antigen 2 ; HIV Infections ; Integrins ; Interleukin-27 ; Leukocytes, Mononuclear/metabolism ; Viral Regulatory and Accessory Proteins
Chemical Substances	Bone Marrow Stromal Antigen 2 ; Integrins ; Interleukin-27 ; Viral Regulatory and Accessory Proteins ; BST2 protein, human
Language	English
Publishing date	2023-01-05
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	80174-4
ISSN	1098-5514 ; 0022-538X
ISSN (online)	1098-5514
ISSN	0022-538X
DOI	10.1128/jvi.01752-22
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Article ; Online: Fluorine Atoms on C

Chaves, Otávio Augusto / Rodrigues-Santos, Cláudio Eduardo / Echevarria, Áurea / Sacramento, Carolina Q / Fintelman-Rodrigues, Natalia / Temerozo, Jairo R / Castro-Faria-Neto, Hugo Caire / Souza, Thiago Moreno Lopes E

International journal of molecular sciences

2022 Volume 23, Issue 18

Abstract: The chymotrypsin-like cysteine protease ( ... ...

Abstract	The chymotrypsin-like cysteine protease (3CL
MeSH term(s)	Antiviral Agents/pharmacology ; COVID-19/drug therapy ; Carbon ; Chymotrypsin ; Coronavirus 3C Proteases ; Fluorine ; Humans ; Molecular Docking Simulation ; Papain ; Peptide Hydrolases ; Porphyrins/pharmacology ; Protease Inhibitors/chemistry ; Protease Inhibitors/pharmacology ; Quantitative Structure-Activity Relationship ; SARS-CoV-2
Chemical Substances	Antiviral Agents ; Porphyrins ; Protease Inhibitors ; corrole ; Fluorine (284SYP0193) ; Carbon (7440-44-0) ; Peptide Hydrolases (EC 3.4.-) ; Chymotrypsin (EC 3.4.21.1) ; Papain (EC 3.4.22.2) ; Coronavirus 3C Proteases (EC 3.4.22.28)
Language	English
Publishing date	2022-09-19
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2019364-6
ISSN	1422-0067 ; 1422-0067 ; 1661-6596
ISSN (online)	1422-0067
ISSN	1422-0067 ; 1661-6596
DOI	10.3390/ijms231810936
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Article ; Online: Unveiling the Antiviral Capabilities of Targeting Human Dihydroorotate Dehydrogenase against SARS-CoV-2.

Purificação, Aline D / Silva-Mendonça, Sabrina / Cruz, Luiza V / Sacramento, Carolina Q / Temerozo, Jairo R / Fintelman-Rodrigues, Natalia / de Freitas, Caroline Souza / Godoi, Bruna Fleck / Vaidergorn, Miguel Menezes / Leite, Juliana Almeida / Salazar Alvarez, Luis Carlos / Freitas, Murillo V / Silvac, Meryck F B / Martin, Bianca A / Lopez, Renata F V / Neves, Bruno J / Costa, Fabio T M / Souza, Thiago M L / da Silva Emery, Flavio /

Andrade, Carolina Horta / Nonato, M Cristina

ACS omega

2024 Volume 9, Issue 10, Page(s) 11418–11430

Abstract: The urgent need for effective treatments against emerging viral diseases, driven by drug-resistant strains and new viral variants, remains critical. We focus on inhibiting the human dihydroorotate dehydrogenase ( ...

Abstract	The urgent need for effective treatments against emerging viral diseases, driven by drug-resistant strains and new viral variants, remains critical. We focus on inhibiting the human dihydroorotate dehydrogenase (
Language	English
Publishing date	2024-02-28
Publishing country	United States
Document type	Journal Article
ISSN	2470-1343
ISSN (online)	2470-1343
DOI	10.1021/acsomega.3c07845
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Article ; Online: Inhibition of the SREBP pathway prevents SARS-CoV-2 replication and inflammasome activation.

Soares, Vinicius Cardoso / Dias, Suelen Silva Gomes / Santos, Julia Cunha / Azevedo-Quintanilha, Isaclaudia G / Moreira, Isabela Batista Gonçalves / Sacramento, Carolina Q / Fintelman-Rodrigues, Natalia / Temerozo, Jairo R / da Silva, Marcos Alexandre Nunes / Barreto-Vieira, Debora Ferreira / Souza, Thiago Ml / Bozza, Patricia T

Life science alliance

2023 Volume 6, Issue 11

Abstract: SARS-CoV-2 induces major cellular lipid rearrangements, exploiting the host's metabolic pathways to replicate. Sterol regulatory element binding proteins (SREBPs) are a family of transcription factors that control lipid metabolism. SREBP1 is associated ... ...

Abstract	SARS-CoV-2 induces major cellular lipid rearrangements, exploiting the host's metabolic pathways to replicate. Sterol regulatory element binding proteins (SREBPs) are a family of transcription factors that control lipid metabolism. SREBP1 is associated with the regulation of fatty acids, whereas SREBP2 controls cholesterol metabolism, and both isoforms are associated with lipid droplet (LD) biogenesis. Here, we evaluated the effect of SREBP in a SARS-CoV-2-infected lung epithelial cell line (Calu-3). We showed that SARS-CoV-2 infection induced the activation of SREBP1 and SREBP2 and LD accumulation. Genetic knockdown of both SREBPs and pharmacological inhibition with the dual SREBP activation inhibitor fatostatin promote the inhibition of SARS-CoV-2 replication, cell death, and LD formation in Calu-3 cells. In addition, we demonstrated that SARS-CoV-2 induced inflammasome-dependent cell death by pyroptosis and release of IL-1β and IL-18, with activation of caspase-1, cleavage of gasdermin D1, was also reduced by SREBP inhibition. Collectively, our findings help to elucidate that SREBPs are crucial host factors required for viral replication and pathogenesis. These results indicate that SREBP is a host target for the development of antiviral strategies.
MeSH term(s)	Humans ; Inflammasomes ; SARS-CoV-2 ; Sterol Regulatory Element Binding Protein 1 ; COVID-19 ; Lipid Metabolism
Chemical Substances	Inflammasomes ; Sterol Regulatory Element Binding Protein 1
Language	English
Publishing date	2023-09-05
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ISSN	2575-1077
ISSN (online)	2575-1077
DOI	10.26508/lsa.202302049
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Article ; Online: Commercially Available Flavonols Are Better SARS-CoV-2 Inhibitors than Isoflavone and Flavones.

Chaves, Otávio Augusto / Fintelman-Rodrigues, Natalia / Wang, Xuanting / Sacramento, Carolina Q / Temerozo, Jairo R / Ferreira, André C / Mattos, Mayara / Pereira-Dutra, Filipe / Bozza, Patrícia T / Castro-Faria-Neto, Hugo Caire / Russo, James J / Ju, Jingyue / Souza, Thiago Moreno L

Viruses

2022 Volume 14, Issue 7

Abstract: Despite the fast development of vaccines, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is still circulating and generating variants of concern (VoC) that escape the humoral immune response. In this context, the search for anti-SARS-CoV-2 ... ...

Abstract	Despite the fast development of vaccines, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is still circulating and generating variants of concern (VoC) that escape the humoral immune response. In this context, the search for anti-SARS-CoV-2 compounds is still essential. A class of natural polyphenols known as flavonoids, frequently available in fruits and vegetables, is widely explored in the treatment of different diseases and used as a scaffold for the design of novel drugs. Therefore, herein we evaluate seven flavonoids divided into three subclasses, isoflavone (genistein), flavone (apigenin and luteolin) and flavonol (fisetin, kaempferol, myricetin, and quercetin), for COVID-19 treatment using cell-based assays and in silico calculations validated with experimental enzymatic data. The flavonols were better SARS-CoV-2 inhibitors than isoflavone and flavones. The increasing number of hydroxyl groups in ring B of the flavonols kaempferol, quercetin, and myricetin decreased the 50% effective concentration (EC
MeSH term(s)	COVID-19/drug therapy ; Flavones/pharmacology ; Flavonoids/pharmacology ; Flavonols/pharmacology ; Humans ; Isoflavones/pharmacology ; Kaempferols ; Molecular Docking Simulation ; Protease Inhibitors ; Quercetin/pharmacology ; SARS-CoV-2
Chemical Substances	Flavones ; Flavonoids ; Flavonols ; Isoflavones ; Kaempferols ; Protease Inhibitors ; Quercetin (9IKM0I5T1E)
Language	English
Publishing date	2022-06-30
Publishing country	Switzerland
Document type	Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
ZDB-ID	2516098-9
ISSN	1999-4915 ; 1999-4915
ISSN (online)	1999-4915
ISSN	1999-4915
DOI	10.3390/v14071458
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Article ; Online: Agathisflavone, a natural biflavonoid that inhibits SARS-CoV-2 replication by targeting its proteases.

Chaves, Otávio Augusto / Lima, Carlyle Ribeiro / Fintelman-Rodrigues, Natalia / Sacramento, Carolina Q / de Freitas, Caroline S / Vazquez, Leonardo / Temerozo, Jairo R / Rocha, Marco E N / Dias, Suelen S G / Carels, Nicolas / Bozza, Patrícia T / Castro-Faria-Neto, Hugo Caire / Souza, Thiago Moreno L

International journal of biological macromolecules

2022 Volume 222, Issue Pt A, Page(s) 1015–1026

Abstract: Despite the fast development of vaccines, the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) still circulates through variants of concern (VoC) and escape the humoral immune response. SARS-CoV-2 has provoked over 200,000 deaths/months since ...

Abstract	Despite the fast development of vaccines, the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) still circulates through variants of concern (VoC) and escape the humoral immune response. SARS-CoV-2 has provoked over 200,000 deaths/months since its emergence and only a few antiviral drugs showed clinical benefit up to this moment. Thus, chemical structures endowed with anti-SARS-CoV-2 activity are important for continuous antiviral development and natural products represent a fruitful source of substances with biological activity. In the present study, agathisflavone (AGT), a biflavonoid from Anacardium occidentale was investigated as a candidate anti-SARS-CoV-2 compound. In silico and enzymatic analysis indicated that AGT may target mainly the viral main protease (M
MeSH term(s)	Humans ; SARS-CoV-2 ; Coronavirus 3C Proteases ; Biflavonoids/pharmacology ; Peptide Hydrolases ; Antiviral Agents/chemistry ; Protease Inhibitors/chemistry ; COVID-19 Drug Treatment
Chemical Substances	Coronavirus 3C Proteases (EC 3.4.22.28) ; agathisflavone (28441-98-7) ; Biflavonoids ; Peptide Hydrolases (EC 3.4.-) ; Antiviral Agents ; Protease Inhibitors
Language	English
Publishing date	2022-09-29
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	282732-3
ISSN	1879-0003 ; 0141-8130
ISSN (online)	1879-0003
ISSN	0141-8130
DOI	10.1016/j.ijbiomac.2022.09.204
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Article ; Online: The Chemokine CCL5 Inhibits the Replication of Influenza A Virus Through SAMHD1 Modulation.

Silva, Thauane / Temerozo, Jairo R / do Vale, Gabriele / Ferreira, André C / Soares, Vinícius Cardoso / Dias, Suelen Silva Gomes / Sardella, Gabriela / Bou-Habib, Dumith Chequer / Siqueira, Marilda / Souza, Thiago Moreno L / Miranda, Milene

Frontiers in cellular and infection microbiology

2021 Volume 11, Page(s) 549020

Abstract: Influenza A virus (IAV) is the main etiological agent of acute respiratory tract infections. During IAV infection, interferon triggers the overexpression of restriction factors (RFs), the intracellular antiviral branch of the innate immune system. ... ...

Abstract	Influenza A virus (IAV) is the main etiological agent of acute respiratory tract infections. During IAV infection, interferon triggers the overexpression of restriction factors (RFs), the intracellular antiviral branch of the innate immune system. Conversely, severe influenza is associated with an unbalanced pro-inflammatory cytokine release. It is unclear whether other cytokines and chemokines released during IAV infection modulate RFs to control virus replication. Among the molecules enhanced in the infected respiratory tract, ligands of the CCR5 receptor play a key role, as they stimulate the migration of inflammatory cells to the alveoli. We investigated here whether ligands of the CCR5 receptor could enhance RFs to levels able to inhibit IAV replication. For this purpose, the human alveolar basal epithelial cell line (A549) was treated with endogenous (CCL3, CCL4 and CCL5) or exogenous (HIV-1 gp120) ligands prior to IAV infection. The three CC-chemokines tested reduced infectious titers between 30% to 45% upon 24 hours of infection. Eploying RT-PCR, a panel of RF mRNA levels from cells treated with CCR5 agonists was evaluated, which showed that the SAMHD1 expression was up-regulated four times over control upon exposure to CCL3, CCL4 and CCL5. We also found that IAV inhibition by CCL5 was dependent on PKC and that SAMHD1 protein levels were also increased after treatment with CCL5. In functional assays, we observed that the knockdown of SAMHD1 resulted in enhanced IAV replication in A549 cells and abolished both CCL5-mediated inhibition of IAV replication and CCL5-mediated cell death inhibition. Our data show that stimuli unrelated to interferon may trigger the upregulation of SAMHD1 and that this RF may directly interfere with IAV replication in alveolar epithelial cells.
MeSH term(s)	Chemokine CCL5 ; Humans ; Influenza A virus ; Influenza, Human ; SAM Domain and HD Domain-Containing Protein 1 ; Virus Replication
Chemical Substances	CCL5 protein, human ; Chemokine CCL5 ; SAM Domain and HD Domain-Containing Protein 1 (EC 3.1.5.-) ; SAMHD1 protein, human (EC 3.1.5.-)
Language	English
Publishing date	2021-08-13
Publishing country	Switzerland
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	2619676-1
ISSN	2235-2988 ; 2235-2988
ISSN (online)	2235-2988
ISSN	2235-2988
DOI	10.3389/fcimb.2021.549020
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Article: Correction: SARS-CoV-2 engages inflammasome and pyroptosis in human primary monocytes.

Ferreira, André C / Soares, Vinicius Cardoso / de Azevedo-Quintanilha, Isaclaudia G / Dias, Suelen da Silva Gomes / Fintelman-Rodrigues, Natalia / Sacramento, Carolina Q / Mattos, Mayara / de Freitas, Caroline S / Temerozo, Jairo R / Teixeira, Lívia / Hottz, Eugenio Damaceno / Barreto, Ester A / Pão, Camila R R / Palhinha, Lohanna / Miranda, Milene / Bou-Habib, Dumith Chequer / Bozza, Fernando A / Bozza, Patrícia T / Souza, Thiago Moreno L

Cell death discovery

2021 Volume 7, Issue 1, Page(s) 116

Language	English
Publishing date	2021-05-19
Publishing country	United States
Document type	Published Erratum
ISSN	2058-7716
ISSN	2058-7716
DOI	10.1038/s41420-021-00477-1
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